Information card for entry 1519855

Structure parameters

• Chemical name: tetracarbazole
• Formula: C86 H108 N4
• Calculated formula: C80 H94 N4
• SMILES: n1(n2c3c(cc(cc3c3cc(ccc23)C(C)(C)C)C(C)(C)C)c2c3[nH]c4c(c3cc(c2)C(C)(C)C)cc(cc4)C(C)(C)C)c2c(cc(cc2c2cc(ccc12)C(C)(C)C)C(C)(C)C)c1c2[nH]c3c(c2cc(c1)C(C)(C)C)cc(cc3)C(C)(C)C
• Title of publication: Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives
• Authors of publication: Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 4160
• a: 30.6695 ± 0.0011 Å
• b: 12.1512 ± 0.0005 Å
• c: 23.0584 ± 0.0009 Å
• α: 90°
• β: 119.572 ± 0.0009°
• γ: 90°
• Cell volume: 7473.9 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.425
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No